SCHEMBL24290352

SCHEMBL24290352

c1ccc(-c2cnn(C3CCC3)c2)nc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.47
JAK1 P23458 1/20 0.47
TYK2 P29597 1/20 0.47
JAK3 P52333 1/20 0.47
PIM1 P11309 4/20 0.44
CLK2 P49760 1/20 0.44
LRRK2 Q5S007 1/20 0.44
IRAK4 Q9NWZ3 2/20 0.43
IRAK1 P51617 1/20 0.43
KDR P35968 1/20 0.43
MAP4K3 Q8IVH8 1/20 0.42
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
CNR2 P34972 1/20 0.41
GRM5 P41594 1/20 0.41
ALK Q9UM73 1/20 0.41
PIM3 Q86V86 2/20 0.41
PIM2 Q9P1W9 2/20 0.41
CYP2A6 P11509 1/20 0.40
MKNK1 Q9BUB5 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL24290032 0.82 CYP2A6 (0.41) JAK2JAK1TYK2JAK3PIM1
SCHEMBL31111498 0.79 KDR (0.41) JAK2JAK1TYK2JAK3PIM1
SCHEMBL29590652 0.79 JAK2 (0.50) JAK2JAK1TYK2JAK3PIM1
SCHEMBL24290035 0.79 JAK2 (0.39) JAK2JAK1TYK2JAK3PIM1
SCHEMBL29077808 0.79 KDR (0.39) JAK2JAK1TYK2JAK3PIM1
SCHEMBL24290034 0.79 JAK2 (0.50) JAK2JAK1TYK2JAK3PIM1
SCHEMBL24292037 0.79 JAK2 (0.50) JAK2JAK1TYK2JAK3PIM1
SCHEMBL27091257 0.79 JAK2 (0.39) JAK2JAK1TYK2JAK3PIM1
SCHEMBL28545279 0.78 MCL1 (0.46) JAK2JAK1TYK2JAK3PIM1
SCHEMBL26522082 0.77 CLK2 (0.50) JAK2JAK1TYK2JAK3PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022073469-A1 COMPOUNDS AND METHODS OF TREATING CANCERS CULLGEN (SHANGHAI) , INC. (CN) 2022-04-14 WO disclosed